2-(7-hydroxyquinolin-3-yl)acetonitrile

C11H8N2O — CID 137194392

IUPAC2-(7-hydroxyquinolin-3-yl)acetonitrile
SMILESN#CCc1cnc2cc(O)ccc2c1
InChIInChI=1S/C11H8N2O/c12-4-3-8-5-9-1-2-10(14)6-11(9)13-7-8/h1-2,5-7,14H,3H2
InChIKeyUWEJEHQROJXCHH-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.01
Rot. Bonds1

About 2-(7-hydroxyquinolin-3-yl)acetonitrile

2-(7-hydroxyquinolin-3-yl)acetonitrile (PubChem CID 137194392) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(7-hydroxyquinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-hydroxyquinolin-3-yl)acetonitrile
PubChem CID137194392
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-(7-hydroxyquinolin-3-yl)acetonitrile
SMILESN#CCc1cnc2cc(O)ccc2c1
InChIInChI=1S/C11H8N2O/c12-4-3-8-5-9-1-2-10(14)6-11(9)13-7-8/h1-2,5-7,14H,3H2
InChIKeyUWEJEHQROJXCHH-UHFFFAOYSA-N
XLogP2.01
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxyquinolin-3-yl)acetonitrile?
The IUPAC name of 2-(7-hydroxyquinolin-3-yl)acetonitrile (CID 137194392) is 2-(7-hydroxyquinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-hydroxyquinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(7-hydroxyquinolin-3-yl)acetonitrile is N#CCc1cnc2cc(O)ccc2c1.
What is the InChIKey of 2-(7-hydroxyquinolin-3-yl)acetonitrile?
The InChIKey is UWEJEHQROJXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-4-3-8-5-9-1-2-10(14)6-11(9)13-7-8/h1-2,5-7,14H,3H2.
What are the key properties of 2-(7-hydroxyquinolin-3-yl)acetonitrile?
2-(7-hydroxyquinolin-3-yl)acetonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxyquinolin-3-yl)acetonitrile is sourced from PubChem (CID 137194392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).